MMsINC Database Search


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MMsINC code: MMs01301874

Type: Neutral
Formula: C₂₄H₂₀FN₃O

SMILES:

Fc1ccc(cc1)-c1nn(cc1C(=O)Nc1cc(C)c(cc1)C)-c1ccccc1

InChI:

InChI=1/C24H20FN3O/c1-16-8-13-20(14-17(16)2)26-24(29)22-15-28(21-6-4-3-5-7-21)27-23(22)18-9-11-19(25)12-10-18/h3-15H,1-2H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.856 kcal/mol

Physical Properties
Molecular Weight: 385.442 g/mol	logS: -7.14678	SlogP: 5.54754	Reactive groups: 0

Topological Properties
Globularity: 0.0232097	Sterimol/B1: 2.6674	Sterimol/B2: 3.69258	Sterimol/B3: 5.97971
Sterimol/B4: 8.61013	Sterimol/L: 17.803

Surface and Volume Properties
Accessible surface: 681.922	Positive charged surface: 352.525	Negative charged surface: 329.396	Volume: 371.75
Hydrophobic surface: 629.384	Hydrophilic surface: 52.538

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.